Basic information
- Standard SMILES
COC(=O)C1C(C)OC(C)CN1S(=O)(=O)c1ccc(O)cc1- InChIKey
MZABQDXTOHMEBL-UHFFFAOYSA-N- Molecular formula
- C14H19NO6S
- Average molar mass
- 329.37 g/mol
Names & identifiers
- Preferred name
- 4-(4-Hydroxy-benzenesulfonyl)-2,6-dimethyl-morpholine-3-carboxylic acid methyl ester
- IUPAC
- methyl 4-(4-hydroxyphenyl)sulfonyl-2,6-dimethylmorpholine-3-carboxylate
Names & synonyms
SCHEMBL7320296MZABQDXTOHMEBL-UHFFFAOYSA-N4-(4-Hydroxy-benzenesulfonyl)-2,6-dimethyl-morpholine-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 18740980
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Related reactions
5 records
Compound notes
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